CID 82074

2-azidobiphenyl

Structural Information

Molecular Formula
C12H9N3
SMILES
C1=CC=C(C=C1)C2=CC=CC=C2N=[N+]=[N-]
InChI
InChI=1S/C12H9N3/c13-15-14-12-9-5-4-8-11(12)10-6-2-1-3-7-10/h1-9H
InChIKey
OUMDYYHOXIUBIO-UHFFFAOYSA-N
Compound name
1-azido-2-phenylbenzene
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

6
References

44
Patents

195.07965 Da
Monoisotopic Mass

4.5
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 196.086926 139.0
[M+Na]+ 218.068868 145.8
[M-H]- 194.072374 148.4
[M+NH4]+ 213.113473 158.1
[M+K]+ 234.042808 138.2
[M+H-H2O]+ 178.076910 135.5
[M+HCOO]- 240.077851 170.8
[M+CH3COO]- 254.093501 187.5
[M+Na-2H]- 216.054316 150.9
[M]+ 195.07910142 136.0
[M]- 195.08019858 136.0
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe